N-[3-(cyclopropylsulfamoyl)phenyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide

C20H20N2O4S2 — CID 24582389

IUPACN-[3-(cyclopropylsulfamoyl)phenyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide
SMILESCSCc1c(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)oc2ccccc12
InChIInChI=1S/C20H20N2O4S2/c1-27-12-17-16-7-2-3-8-18(16)26-19(17)20(23)21-14-5-4-6-15(11-14)28(24,25)22-13-9-10-13/h2-8,11,13,22H,9-10,12H2,1H3,(H,21,23)
InChIKeyIRUFDFADVWIYMT-UHFFFAOYSA-N
MW416.52 g/mol
LogP3.99
Rot. Bonds7

About N-[3-(cyclopropylsulfamoyl)phenyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide

N-[3-(cyclopropylsulfamoyl)phenyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 24582389) has the molecular formula C20H20N2O4S2 and a molecular weight of 416.52 g/mol. Its IUPAC name is N-[3-(cyclopropylsulfamoyl)phenyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylsulfamoyl)phenyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide
PubChem CID24582389
Molecular FormulaC20H20N2O4S2
Molecular Weight416.52 g/mol
Exact Mass416.09
IUPAC NameN-[3-(cyclopropylsulfamoyl)phenyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide
SMILESCSCc1c(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)oc2ccccc12
InChIInChI=1S/C20H20N2O4S2/c1-27-12-17-16-7-2-3-8-18(16)26-19(17)20(23)21-14-5-4-6-15(11-14)28(24,25)22-13-9-10-13/h2-8,11,13,22H,9-10,12H2,1H3,(H,21,23)
InChIKeyIRUFDFADVWIYMT-UHFFFAOYSA-N
XLogP3.99
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(methylsulfanylmethyl)-N-(3-sulfamoylphenyl)-1-benzofuran-2-carboxamide
CID 4780812
N-(3-acetylphenyl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide
CID 2679006
N-[3-(cyclopropylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 24582373
N-(3,4-dimethoxyphenyl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide
CID 17438326
N-[3-(cyclopropylsulfamoyl)phenyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 25442102
3-(cyclohexylsulfanylmethyl)-N-[3-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
CID 4255361
N-(4-bromo-2-methylphenyl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide
CID 26731468
N-[3-(cyclopropylsulfamoyl)phenyl]-4-sulfamoylbenzamide
CID 24646340
N-[3-(cyclopropylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 79203861
N-[3-(cyclopropylsulfamoyl)phenyl]-3-fluorobenzamide
CID 17404523
N-[3-(cyclohexylsulfamoyl)phenyl]acetamide
CID 47314930
N-[3-(cyclopropylsulfamoyl)phenyl]-2-(2-methoxyethoxy)acetamide
CID 43037721

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylsulfamoyl)phenyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-[3-(cyclopropylsulfamoyl)phenyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide (CID 24582389) is N-[3-(cyclopropylsulfamoyl)phenyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylsulfamoyl)phenyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[3-(cyclopropylsulfamoyl)phenyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide is CSCc1c(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)oc2ccccc12.
What is the InChIKey of N-[3-(cyclopropylsulfamoyl)phenyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is IRUFDFADVWIYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S2/c1-27-12-17-16-7-2-3-8-18(16)26-19(17)20(23)21-14-5-4-6-15(11-14)28(24,25)22-13-9-10-13/h2-8,11,13,22H,9-10,12H2,1H3,(H,21,23).
What are the key properties of N-[3-(cyclopropylsulfamoyl)phenyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide?
N-[3-(cyclopropylsulfamoyl)phenyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 416.52 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylsulfamoyl)phenyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 24582389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).